N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine

C10H20N2O — CID 102657023

IUPACN-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
SMILESC=CCN(C)CCOC1(C)CNC1
InChIInChI=1S/C10H20N2O/c1-4-5-12(3)6-7-13-10(2)8-11-9-10/h4,11H,1,5-9H2,2-3H3
InChIKeyOQQOAKPKFHAXTC-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.48
Rot. Bonds6

About N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine

N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine (PubChem CID 102657023) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
PubChem CID102657023
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
SMILESC=CCN(C)CCOC1(C)CNC1
InChIInChI=1S/C10H20N2O/c1-4-5-12(3)6-7-13-10(2)8-11-9-10/h4,11H,1,5-9H2,2-3H3
InChIKeyOQQOAKPKFHAXTC-UHFFFAOYSA-N
XLogP0.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylpropan-1-amine
CID 62597128
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-en-1-amine
CID 62597990
N,N-diethyl-2-(3-methylazetidin-3-yl)oxyethanamine
CID 83065892
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylprop-2-en-1-amine
CID 102656672
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propylpropan-1-amine
CID 102656681
N-ethyl-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
CID 102656710
N-ethyl-N-methyl-2-(3-methylazetidin-3-yl)oxyethanamine
CID 102656721
N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine
CID 102656727
N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine
CID 102656730
N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
CID 102657024
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-1-amine
CID 102657025
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine
CID 102657026

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine?
The IUPAC name of N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine (CID 102657023) is N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine.
What is the SMILES notation for N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine?
The canonical SMILES for N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine is C=CCN(C)CCOC1(C)CNC1.
What is the InChIKey of N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine?
The InChIKey is OQQOAKPKFHAXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-5-12(3)6-7-13-10(2)8-11-9-10/h4,11H,1,5-9H2,2-3H3.
What are the key properties of N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine?
N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine has a molecular weight of 184.28 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine is sourced from PubChem (CID 102657023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).